CAS 34708-08-2 3-(Triethoxysilyl)propyl thiocyanate (HCID 118718)

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Basic information

CAS: 34708-08-2
Standard SMILES: CCO[Si](CCCSC#N)(OCC)OCC
InChIKey: HKMVWLQFAYGKSI-UHFFFAOYSA-N
Molecular formula: C10H21NO3SSi
Average molar mass: 263.43 g/mol
Monoisotopic mass: 263.10114106

Names & identifiers

Preferred name: 3-(Triethoxysilyl)propyl thiocyanate
IUPAC: 3-triethoxysilylpropyl thiocyanate
English name: 3-Thiocyanatopropyltriethoxysilane
Molecular formula: C10H21NO3SSi
Molecular weight: 263.43

Names & synonyms

Triethoxy(3-thiocyanatopropyl)silaneThiocyanic acid, 3-(triethoxysilyl)propyl ester3-(triethoxysilyl)propyl thiocyanateLFK8NDL8UFUNII-LFK8NDL8UF(3-Thiocyanatopropyl)triethoxysilaneEINECS 252-161-3DTXSID5044659EC 252-161-3(.GAMMA.-THIOCYANATOPROPYL)TRIETHOXYSILANERefChem:92740DTXCID3024659

Show more names

Si-264Triethoxy(3-thiocyanatopropyl)3-Thiocyatopropyltriethoxysilane-THIOCYANATOPROPYLTRIETHOXYSILANE3-Thiocyanatopropyltriethoxysilan3-Tluocyanatopropyllriethoxystlaneγ-Thiocyanatopropyltriethoxysilaneγ-Thiocyanatopropyltriethoxysilane

(gamma-Thiocyanatopropyl)triethoxysilane34708-08-23-Thiocyanatopropyltriethoxysilane3-triethoxysilylpropyl thiocyanateMFCD000432353-ThiocyanotopropyltriethoxysilaneSCHEMBL133479thiocyanatopropyltriethoxysilane

Database identifiers

CAS: 34708-08-2

Properties

Computed structural properties

Topological polar surface area: 76.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 10
Heavy atoms: 16
Formal charge: 0
Complexity: 202

Experimental & physicochemical properties

Physical DescriptionLiquid

Physicochemical properties

Melting point: 0 °C · <0°C
Boiling point: 95 °C · 95 °C
Density: 1.03 · 1.03
vapor pressure: 0 · 0-7910Pa at 25℃
refractive index: 1.446 · 1.446
Flash point: 112 °C · 112°C
form: liquid
color: Clear, pale yellow
Specific Gravity: 1.03 · 1.03
Viscosity: 3 mm2/s · 3mm2/s
Water Solubility: 140 · 140-1000000mg/L at 20℃
Hydrolytic Sensitivity: 7 · 7: reacts slowly with moisture/water
InChI: InChI=1S/C10H21NO3SSi/c1-4-12-16(13-5-2,14-6-3)9-7-8-15-10-11/h4-9H2,1-3H3
InChIKey

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 2.2% (1 of 46) of reports.

Warning

H302 (95.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P273, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 3 items

Thiocyanic acid, 3-(triethoxysilyl)propyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Thiocyanic acid, 3-(triethoxysilyl)propyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

REACH registered substance: Triethoxy(3-thiocyanatopropyl)silane (EC: 252-161-3)

Hazard Classes and CategoriesAcute Tox. 4 (95.7%)

Safety data

tsca: TSCA listed
hs_code: 29319090
risk_code: 20/21/22-36/37/38-52/53-22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
safety_code: 26-36/37/39-61
Hazard statements: H315-H319-H335
REACH Registrations: Active
Precautionary statements: P280-P304+P340-P305+P351+P338

Chemistry & industry

Uses & manufacturing

U.S. Production2023: 26,455 lb

Industry UsesSealant (barrier)

General Manufacturing Information · 2 items

Asphalt Paving, Roofing, and Coating Materials Manufacturing

Thiocyanic acid, 3-(triethoxysilyl)propyl ester: ACTIVE

Applications · 1 item

Description3-Thiocyanatopropyltriethoxysilane is a bifunctional, sulfur-containing organosilane for rubber applications in combination with white fillers containing silanol groups. In silane industry, it has good features that includes: It can improve reinforcing properties of fillers that contain hydroxyl groups. It can improve physical and mechanical properties of vulcanizates. It can improve tensile strength, tearing strength and abrasive resistance and reduce compression set of vulcanizates. In addition, it can reduce the viscosity and improve the processability of rubber products.